25-Hydroxycalciferol

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Properties Simple | Detailed

Formula C28H44O2
IUPAC Name (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-5-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Molecular Mass 412.648 g·mol−1
Heat of Formation -509.6 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 566.79 Å 3
Surface Area 451.53 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-5-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-5-hydroxy-1,4,5-trimethylhex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-6-hydroxy-5,6-dimethyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • (5z,7e,22e)-(3s)-9,10-seco-5,7,10(19),22-ergostatetraene-3,25-diol
  • 25-hydroxyergocalciferol
  • 25-hydroxyvitamin d 2
  • 25-hydroxyvitamin d2
  • 25-hydroxyvitamin d2 / 25-hydroxyergocalciferol
  • 9,10-secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3beta,5z,7e,22e)-
  • lmst03010030
CAS Number(s)
  • 21343-40-8
  • 29864-49-1
  • 50351-34-3
  • 21343-34-0
InChIKey KJKIIUAXZGLUND-ICCVIKJNSA-N
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